3-N-cyclopropyl-5-methylbenzene-1,3-diamine

C10H14N2 — CID 112646925

IUPAC3-N-cyclopropyl-5-methylbenzene-1,3-diamine
SMILESCc1cc(N)cc(NC2CC2)c1
InChIInChI=1S/C10H14N2/c1-7-4-8(11)6-10(5-7)12-9-2-3-9/h4-6,9,12H,2-3,11H2,1H3
InChIKeyVNELOAVQPAYVBI-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.15
Rot. Bonds2

About 3-N-cyclopropyl-5-methylbenzene-1,3-diamine

3-N-cyclopropyl-5-methylbenzene-1,3-diamine (PubChem CID 112646925) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 3-N-cyclopropyl-5-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-cyclopropyl-5-methylbenzene-1,3-diamine
PubChem CID112646925
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name3-N-cyclopropyl-5-methylbenzene-1,3-diamine
SMILESCc1cc(N)cc(NC2CC2)c1
InChIInChI=1S/C10H14N2/c1-7-4-8(11)6-10(5-7)12-9-2-3-9/h4-6,9,12H,2-3,11H2,1H3
InChIKeyVNELOAVQPAYVBI-UHFFFAOYSA-N
XLogP2.15
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-N-cyclooctyl-5-methylbenzene-1,3-diamine
CID 112646949
3-N-(1,1-dioxothian-4-yl)-5-methylbenzene-1,3-diamine
CID 112647228
3-(3-amino-5-methylanilino)cyclobutan-1-ol
CID 112647990
3-N-(2,3-dihydro-1H-inden-2-yl)-5-methylbenzene-1,3-diamine
CID 114008155
5-methyl-3-N-(3-methylcyclohexyl)benzene-1,3-diamine
CID 112647121
5-methyl-3-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,3-diamine
CID 112647668
4-N-(3-fluoro-5-methylphenyl)cyclohexane-1,4-diamine
CID 79740975
N-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline
CID 64731599
5-methyl-3-N-(2-propan-2-ylcyclohexyl)benzene-1,3-diamine
CID 112648163
N-(3,5-dimethylphenyl)oxepan-4-amine
CID 65076882
3-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-methylbenzene-1,3-diamine
CID 112647979
3-N-(2,6-dioxaspiro[4.5]decan-9-yl)-5-methylbenzene-1,3-diamine
CID 138684089

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopropyl-5-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-cyclopropyl-5-methylbenzene-1,3-diamine (CID 112646925) is 3-N-cyclopropyl-5-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-cyclopropyl-5-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-cyclopropyl-5-methylbenzene-1,3-diamine is Cc1cc(N)cc(NC2CC2)c1.
What is the InChIKey of 3-N-cyclopropyl-5-methylbenzene-1,3-diamine?
The InChIKey is VNELOAVQPAYVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-7-4-8(11)6-10(5-7)12-9-2-3-9/h4-6,9,12H,2-3,11H2,1H3.
What are the key properties of 3-N-cyclopropyl-5-methylbenzene-1,3-diamine?
3-N-cyclopropyl-5-methylbenzene-1,3-diamine has a molecular weight of 162.24 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopropyl-5-methylbenzene-1,3-diamine is sourced from PubChem (CID 112646925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).